SCHEMBL45550

SCHEMBL45550

COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C1CCCCN1CCCOC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PTGER4 P35408 2/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.35
KCNK3 O14649 1/20 0.34
LMNA P02545 1/20 0.34
NR1I2 O75469 1/20 0.34
FKBP1A P62942 1/20 0.34
F2 P00734 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL45606 0.83 PTGER4 (0.38) SMN1; SMN2POLBTSHRCYP3A4CYP2D6
SCHEMBL15432838 0.83 PTGER4 (0.38) SMN1; SMN2POLBTSHRCYP3A4CYP2D6
SCHEMBL15421166 0.79 PTGER4 (0.37) SMN1; SMN2POLBTSHRHRH3PTGER4
SCHEMBL23920414 0.75 NR1I2 (0.45) SMN1; SMN2POLBTSHRCYP3A4CYP2D6
SCHEMBL23822617 0.74 HRH3 (0.42) SMN1; SMN2POLBTSHRCYP3A4CYP2D6
SCHEMBL13102177 0.73 MAPT (0.48) SMN1; SMN2POLBTSHRCYP3A4CYP2D6
SCHEMBL15432839 0.72 SIGMAR1 (0.43) SMN1; SMN2TSHRCYP3A4PTGER4ALDH1A1
SCHEMBL15444464 0.72 SIGMAR1 (0.43) SMN1; SMN2TSHRCYP3A4PTGER4ALDH1A1
SCHEMBL6830930 0.71 POLB (0.41) SMN1; SMN2POLBTSHRCYP3A4HRH3
SCHEMBL13995369 0.70 KDM4E (0.44) SMN1; SMN2POLBTSHRCYP3A4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SMN1; SMN2 4864/4885POLB 1451/4885TSHR 4326/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.